Summary

IMPPAT Phytochemical identifier: IMPHY016304

Phytochemical name: Phenol, 2,4-bis-(1,1-dimethylethyl), TMS

Synonymous chemical names:
2,4-bis(1,1-dimethylethyl)-phenol, 2,4-bis-(1,1-dimethylethyl)-phenol

External chemical identifiers:
CID:528937

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Chemical structure information

SMILES:
C[Si](Oc1cc(cc(c1)C(C)(C)C)C(C)(C)C)(C)C

InChI:
InChI=1S/C17H30OSi/c1-16(2,3)13-10-14(17(4,5)6)12-15(11-13)18-19(7,8)9/h10-12H,1-9H3

InChIKey:
PNVRMDDGELICSY-UHFFFAOYSA-N

DeepSMILES:
C[Si]Occcccc6)CC)C)C))))CC)C)C))))))C)C

Functional groups:
cO[Si](C)(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Phenylpropanes

NP-Likeness score: -0.393

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Chemical structure download